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6-linalyl-2-O,3-dimethylflaviolin

PropertiesImage
MNX_IDMNXM146514 Image of MNXM146514
referencechebi:78588
formulaC22H25O5
global charge-1
mol weight369.437
InChIKeyVOXTWWMONIHUIK-UHFFFAOYSA-M
InChIInChI=1S/C22H26O5/c1-7-22(5,10-8-9-12(2)3)17-15(23)11-14-16(20(17)26)18(24)13(4)21(27-6)19(14)25/h7,9,11,23,26H,1,8,10H2,2-6H3/p-1
SMILESC=CC(C)(CCC=C(C)C)C1=C(O)C2=C(C=C1[O-])C(=O)C(OC)=C(C)C2=O
MNX internals
InChI (mnx)InChI=1/C22H26O5/c1-7-22(5,10-8-9-12(2)3)17-15(23)11-14-16(20(17)26)18(24)13(4)21(27-6)19(14)25/h7,9,11,23,26H,1,8,10H2,2-6H3/t22? Image of MNXM146514
SMILES (mnx)[CH2:1]=[CH:7][C:22]([CH3:5])([CH2:10][CH2:8][CH:9]=[C:12]([CH3:2])[CH3:3])[C:17]1=[C:15]([OH:23])[CH:11]=[C:14]2[C:16](=[C:20]1[OH:26])[C:18](=[O:24])[C:13]([CH3:4])=[C:21]([O:27][CH3:6])[C:19]2=[O:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78588
chebi:78588
VOXTWWMONIHUIK-UHFFFAOYSA-M 		6-linalyl-2-O,3-dimethylflaviolin
3-(3,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-7-methoxy-6-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-olate
6-(3,7-dimethylocta-1,6-dien-3-yl)-5-hydroxy-7-oxido-2-methoxy-3-methylnaphthalene-1,4-dione
6-linalyl-2-O,3-dimethylflaviolin-7-olate

seed.compound:cpd34614
seedM:cpd34614
VOXTWWMONIHUIK-UHFFFAOYSA-N 		6-(3,7-dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-2-methoxy-3-methylnaphthalene-1,4-dione
6-linalyl-2-O,3-dimethylflaviolin

kegg.compound:C21002
keggC:C21002
VOXTWWMONIHUIK-UHFFFAOYSA-N 		6-Linalyl-2-O,3-dimethylflaviolin

CHEBI:82610
chebi:82610
VOXTWWMONIHUIK-UHFFFAOYSA-N 		6-linalyl-2-O,3-dimethylflaviolin
6-(3,7-dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-2-methoxy-3-methyl-1,4-naphthoquinone

metacyc.compound:CPD-16659
metacycM:CPD-16659
VOXTWWMONIHUIK-UHFFFAOYSA-N 		6-linalyl-2-O,3-dimethylflaviolin
6-(3,7-dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-2-methoxy-3-methylnaphthalene-1,4-dione

keggC:M_C21002
seedM:M_cpd34614 		secondary/obsolete/fantasy identifier